NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3144 8.1744 110.9432 61.2387 70.8660 173.4788 6 N 4.6700 7.8807 121.2678 53.0663 38.8926 173.2711 7 S 4.5692 7.9451 113.2292 57.4360 65.7125 173.5106 8 D 4.8011 8.5054 122.6883 55.0987 42.2521 174.6775 9 F 5.2288 7.7075 114.8634 55.7393 41.1553 173.8391 10 V 4.4467 8.7320 113.1677 59.7239 34.9301 174.7929 11 V 4.8885 8.7605 122.8887 61.3028 34.2278 174.4486 12 I 5.0234 8.7372 127.7868 59.3998 40.7198 174.0581 13 K 5.0157 9.2112 128.9650 54.2307 34.6036 175.0284 14 A 4.4407 8.9159 130.2420 52.2556 19.1363 177.4825 15 L 4.6865 8.7157 121.7363 54.6846 42.6785 175.8472 16 E 4.7470 7.6528 115.4302 55.1612 32.3016 174.6078 17 D 4.4290 8.7456 120.1849 54.1101 41.9170 176.1784 18 G 3.8584 7.8270 106.6041 46.6763 0.0000 174.3576 19 V 4.1161 7.8527 118.9795 62.1046 33.4634 174.6748 20 N 5.1584 8.8779 125.7027 51.8787 40.5991 174.0885 21 V 4.5165 8.7516 125.3461 61.6072 33.1567 174.3745 22 I 4.5979 8.9662 130.4285 59.3437 39.6446 175.2160 23 G 4.0500 8.5628 115.1606 45.5245 0.0000 172.9015 24 L 5.1736 9.1912 127.0197 53.8945 43.6040 176.5173 25 T 4.5087 8.7228 113.6116 61.4381 69.4861 174.5490 26 R 3.8913 8.4941 126.2417 57.8055 30.5924 175.3772 27 G 3.8488 8.7509 108.5484 44.2600 0.0000 174.0364 28 A 4.0676 8.6294 121.1004 53.8287 18.8401 177.2603 29 D 4.9622 7.3514 115.8646 52.9036 43.1309 176.7828 30 T 4.5605 8.3154 122.7799 61.6311 68.1977 172.7937 31 R 4.6982 8.5121 122.2294 54.0359 32.5133 175.9603 32 F 5.1241 8.6807 116.7207 57.3679 39.6620 175.4750 33 H 5.0429 8.6606 119.1705 55.9901 30.3073 173.3620 34 H 4.7712 7.5481 117.4249 55.2912 33.3750 172.4138 35 S 4.5364 7.7907 117.3993 56.7068 64.8220 172.4566 36 E 4.4443 8.8567 129.9012 54.7211 30.9470 174.7839 37 K 4.8697 8.6265 127.1309 55.5411 33.2828 176.1309 38 L 4.9774 9.2306 125.6082 53.1253 44.9738 175.8207 39 D 5.0938 9.4776 122.1879 52.1649 43.6959 176.0304 40 K 3.9918 8.8045 122.0461 58.5155 32.3006 177.2155 41 G 4.0109 9.1257 115.6946 45.0984 0.0000 173.3075 42 E 4.3151 8.0969 119.8256 56.0188 30.9939 175.8370 43 V 4.8706 8.3196 122.5159 61.0221 34.0878 174.1499 44 L 4.7281 9.3322 130.1596 53.2655 44.6157 174.7817 45 I 4.9806 8.4590 126.5325 59.6241 39.0580 174.7422 46 A 4.7749 8.7806 128.5165 50.1828 22.5001 174.8476 47 Q 4.9713 8.4969 118.8176 54.4089 30.9210 175.7647 48 F 4.6821 8.2939 120.1626 58.1814 39.6741 175.1057 49 T 4.6476 8.9467 110.8700 60.5001 71.7015 173.8783 50 E 3.6764 8.9180 121.1412 59.2631 29.6908 177.3139 51 H 4.6061 8.2726 114.1618 55.9377 30.0468 174.0915 52 T 5.4515 7.8946 116.4707 60.8983 70.7845 174.4873 53 S 4.9698 9.0381 119.6568 58.0348 64.4830 173.6336 54 A 5.0665 7.8931 121.1850 51.2232 22.5310 175.1360 55 I 4.9403 8.5451 120.2052 59.3077 40.6835 174.7638 56 K 4.5331 8.8869 127.8271 54.5190 34.6741 174.6381 57 V 4.7049 8.3852 126.8234 61.2250 33.5532 174.5656 58 R 4.5344 9.3138 127.5111 55.5207 32.7413 176.2467 59 G 3.9085 8.9830 109.1083 43.9155 0.0000 172.4761 60 K 4.8296 8.9861 119.4977 55.9294 32.8974 175.6187 61 A 5.1432 8.8810 128.3166 50.8088 23.5703 173.6339 62 Y 4.9879 9.3436 121.3003 56.0297 41.1243 174.5256 63 I 4.9195 8.3056 127.6654 59.4680 40.6399 174.4783 64 Q 4.9687 9.1128 125.8176 54.2832 32.0225 174.8648 65 T 4.6763 8.4302 113.0670 59.3290 72.4368 174.5287 66 R 3.7619 8.5456 120.7328 59.4015 29.7708 176.3430 67 H 4.7404 9.0146 112.5340 54.9517 29.2925 174.4496 68 G 3.8599 6.5721 106.6324 43.8898 0.0000 173.0039 69 V 4.7912 7.4740 112.2750 59.9112 34.7166 175.2093 70 I 4.2902 7.5978 119.6920 60.4367 41.9777 172.6696 71 E 5.3200 8.6830 125.9015 54.4294 32.5849 175.9435 72 S 4.5148 8.8684 119.1462 58.1789 64.7447 172.9451 73 E 4.9429 8.8083 120.7258 54.4841 32.7442 176.3107 74 G 3.7176 8.5439 110.2955 45.7815 0.0000 172.8247 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 T 8.17 4.31 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 N 7.88 4.67 0.00 2.79 2.85 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.95 4.57 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.51 4.80 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.71 5.23 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.73 4.45 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.82 0.00 0.00 11 V 8.76 4.89 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.19 0.00 0.00 12 I 8.74 5.02 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.70 0.91 0.00 0.00 13 K 9.21 5.02 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.39 7.81 14 A 8.92 4.44 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.72 4.69 0.00 1.67 1.72 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.75 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 17 D 8.75 4.43 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.83 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.85 4.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.05 0.00 0.00 20 N 8.88 5.16 0.00 2.72 2.69 0.00 0.00 6.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.75 4.52 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 22 I 8.97 4.60 1.39 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.47 -0.22 0.00 0.00 23 G 8.56 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.19 5.17 0.00 1.82 1.65 0.65 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.72 4.51 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 26 R 8.49 3.89 0.00 1.86 1.94 0.00 3.40 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 27 G 8.75 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.63 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.35 4.96 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.32 4.56 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 R 8.51 4.70 0.00 2.02 2.11 0.00 2.80 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 32 F 8.68 5.12 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.66 5.04 0.00 3.19 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.55 4.77 0.00 3.13 2.94 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.79 4.54 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.86 4.44 0.00 2.18 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 37 K 8.63 4.87 0.00 1.67 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 L 9.23 4.98 0.00 1.53 1.53 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.48 5.09 0.00 2.54 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.80 3.99 0.00 1.69 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 41 G 9.13 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.10 4.32 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 43 V 8.32 4.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.33 4.73 0.00 1.72 1.47 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.98 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.67 0.00 0.00 46 A 8.78 4.77 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.50 4.97 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 48 F 8.29 4.68 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.95 4.65 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 50 E 8.92 3.68 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 51 H 8.27 4.61 0.00 3.23 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.89 5.45 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 53 S 9.04 4.97 0.00 3.80 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.89 5.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.55 4.94 1.81 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.88 0.00 0.00 56 K 8.89 4.53 0.00 1.69 1.42 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.33 7.81 57 V 8.39 4.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 58 R 9.31 4.53 0.00 1.73 1.80 0.00 3.18 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 59 G 8.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.99 4.83 0.00 1.91 1.73 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 61 A 8.88 5.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.34 4.99 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.31 4.92 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.02 0.86 0.00 0.00 64 Q 9.11 4.97 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 T 8.43 4.68 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 66 R 8.55 3.76 0.00 1.61 1.77 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 67 H 9.01 4.74 0.00 3.16 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.57 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.47 4.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.98 0.00 0.00 70 I 7.60 4.29 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.34 0.84 0.00 0.00 71 E 8.68 5.32 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 72 S 8.87 4.51 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.81 4.94 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 74 G 8.54 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00